STEPHAN C SCHURER
Affiliation: University of Miami
- Formalization, annotation and analysis of diverse drug and probe screening assay datasets using the BioAssay Ontology (BAO)Uma D Vempati
Center for Computational Science, University of Miami, Miami, Florida, United States of America
PLoS ONE 7:e49198. 2012..As a consequence, BAO offers the potential to infer new knowledge from a corpus of assay results, for example molecular mechanisms of action of perturbagens...
- Kinome-wide activity modeling from diverse public high-quality data setsSTEPHAN C SCHURER
Department of Molecular and Cellular Pharmacology, Miller School of Medicine and Center for Computational Science, University of Miami, Miami, Florida 33136, USA
J Chem Inf Model 53:27-38. 2013....
- BioAssay ontology annotations facilitate cross-analysis of diverse high-throughput screening data setsSTEPHAN C SCHURER
Center for Computational Science, University of Miami, Miami, Florida 33136, USA
J Biomol Screen 16:415-26. 2011..Furthermore, they show that BAO is a valuable toolset for the identification of related assays and for the systematic generation of insights that are beyond the scope of individual assays or screening campaigns...
- GPCR ontology: development and application of a G protein-coupled receptor pharmacology knowledge frameworkMagdalena J Przydzial
Center for Computational Science, University of Miami, Miami, FL 33136, USA and Department of Molecular and Cellular Pharmacology, Miller School of Medicine, University of Miami, Miami, FL 33136, USA
Bioinformatics 29:3211-9. 2013..As the largest class of drug targets, G protein-coupled receptors (GPCRs) remain of particular interest and are pursued by numerous academic and industrial research projects...
- BioAssay Ontology (BAO): a semantic description of bioassays and high-throughput screening resultsUbbo Visser
Department of Computer Science, University of Miami, Coral Gables, FL, USA
BMC Bioinformatics 12:257. 2011..Novel approaches to organize, standardize and access HTS data are required to address these challenges...
- Novel kinase inhibitors by reshuffling ligand functionalities across the human kinomeDušica Vidović
Center for Computational Science, Miller School of Medicine, University of Miami, Miami, Florida 33136, USA
J Chem Inf Model 52:3107-15. 2012..Here, we systematize and automate this approach leveraging available knowledge covering the entire human Kinome...
- Chemical interrogation of the neuronal kinome using a primary cell-based screening assayHassan Al-Ali
Miami Project to Cure Paralysis, University of Miami Miller School of Medicine, Miami, FL 33136, USA
ACS Chem Biol 8:1027-36. 2013..This study can serve as a jumping-off point for structure activity relationship (SAR) and other drug discovery approaches toward the development of drugs for treating SCI and related neurological pathologies...
- Distinct functional and conformational states of the human lymphoid tyrosine phosphatase catalytic domain can be targeted by choice of the inhibitor chemotypeDušica Vidović
Center for Computational Science, University of Miami, Miami, FL 33136, USA
J Comput Aided Mol Des 25:873-83. 2011..The analysis presented here is relevant for the design of inhibitors that specifically target either the closed or the open conformation of LYP in order to achieve better selectivity over phosphatases with similar binding sites...